2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine

C13H15BrFN3 — CID 105172203

IUPAC2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1cccc(F)c1Br)c1ccnn1C
InChIInChI=1S/C13H15BrFN3/c1-16-11(12-6-7-17-18(12)2)8-9-4-3-5-10(15)13(9)14/h3-7,11,16H,8H2,1-2H3
InChIKeyNLAHACOSAWKBBP-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.82
Rot. Bonds4

About 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine

2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 105172203) has the molecular formula C13H15BrFN3 and a molecular weight of 312.19 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID105172203
Molecular FormulaC13H15BrFN3
Molecular Weight312.19 g/mol
Exact Mass311.04
IUPAC Name2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1cccc(F)c1Br)c1ccnn1C
InChIInChI=1S/C13H15BrFN3/c1-16-11(12-6-7-17-18(12)2)8-9-4-3-5-10(15)13(9)14/h3-7,11,16H,8H2,1-2H3
InChIKeyNLAHACOSAWKBBP-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 82806793
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963304
2-(2-bromo-3-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103127872
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
CID 105020651
3,3,3-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63963299
2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63960987
N-methyl-1-(2-methylpyrazol-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159617
2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine
CID 105172170
2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 105020535
2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine
CID 63976182
[2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228625
2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 107968820

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine (CID 105172203) is 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine is CNC(Cc1cccc(F)c1Br)c1ccnn1C.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is NLAHACOSAWKBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3/c1-16-11(12-6-7-17-18(12)2)8-9-4-3-5-10(15)13(9)14/h3-7,11,16H,8H2,1-2H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 312.19 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105172203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).